Download Firefly 8.2.0 computational chemistry software

January 5, 2022| Chemist
Download Firefly 8.2.0 computational chemistry software

Firefly program download is a software application in the field of computational chemistry for chemists. Firefly (previously known as the PC GAMESS) is a freely available ab initio and DFT computational chemistry program developed to offer high performance on Intel-compatible x86, AMD64, and EM64T processors. Firefly package is being developed by the Firefly Project Team.

The project coordinator and leading developer is Dr. Alex A. Granovsky. A number of other researchers have made significant contributions to the project over last years, especially those of Dr. Anastasia V. Bochenkova and Dr. James W. Kress are to be mentioned.

Firefly extends functionality of the GAMESS (US) program by providing very fast Moller-Plesset second, third and fourth order correlation corrections based on the self-consistent electron pairs (SCEP) theory. It allows separate evaluation of singlet and triplet pair contributions to MP2, MP3, and MP4(D) energies. The DFT code in the Firefly is completely different and is much faster than in the GAMESS (US) and the two programs support different density functionals. Firefly includes support of RPA (TDHF) and TDDFT for excited states.

Download Firefly


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Categories: Chemistry Software

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